SCHEMBL13797950

SCHEMBL13797950

COc1c(NC(=O)c2cc3cccc(NC(=O)c4cccnc4Cl)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.64
▸ MAPK9 P45984 1/20 0.64
▸ MAPK14 Q16539 9/20 0.61
▸ BRAF P15056 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SCARB1 Q8WTV0 3/20 0.39
▸ SRC P12931 2/20 0.39
▸ SYK P43405 2/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13797999 0.92 LYN (0.66) LYNMAPK9MAPK14BRAFSCARB1
SCHEMBL13797949 0.89 MAPK14 (0.68) LYNMAPK9MAPK14BRAFSCARB1
SCHEMBL13797947 0.86 MAPK14 (0.69) LYNMAPK9MAPK14BRAFALDH1A1
SCHEMBL13797959 0.86 LYN (0.68) LYNMAPK9MAPK14BRAFGSK3A
SCHEMBL13797943 0.85 MAPK14 (0.72) LYNMAPK9MAPK14BRAFSCARB1
SCHEMBL13797944 0.85 LYN (0.67) LYNMAPK9MAPK14BRAFSRC
SCHEMBL13797953 0.85 LYN (0.71) LYNMAPK9MAPK14BRAF
SCHEMBL13798008 0.84 LYN (0.66) LYNMAPK9MAPK14BRAFSCARB1
SCHEMBL3256057 0.84 LYN (0.77) LYNMAPK9MAPK14BRAFALDH1A1
SCHEMBL13797961 0.84 LYN (0.66) LYNMAPK9MAPK14BRAFSCARB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
Send feedback